ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate

C13H13NO5 — CID 20530498

IUPACethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)C1(C)OC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H13NO5/c1-3-18-11(16)13(2)10(15)14(12(17)19-13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyWYPZZNCZPOHNGE-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.49
Rot. Bonds3

About ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate

ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate (PubChem CID 20530498) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
PubChem CID20530498
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Nameethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)C1(C)OC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H13NO5/c1-3-18-11(16)13(2)10(15)14(12(17)19-13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyWYPZZNCZPOHNGE-UHFFFAOYSA-N
XLogP1.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate?
The IUPAC name of ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate (CID 20530498) is ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate is CCOC(=O)C1(C)OC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate?
The InChIKey is WYPZZNCZPOHNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-3-18-11(16)13(2)10(15)14(12(17)19-13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate?
ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 20530498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).